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| CAS No.: | 60256-21-5 |
|---|---|
| Name: | ADAMANTAN-1-YL-AMINO-ACETIC ACID |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C12H19NO2 |
| Molecular Weight: | 209.288 |
| Synonyms: | alpha-Aminotricyclo[3.3.1.13,7]decane-1-acetic acid;Adamantan-1-yl(amino)acetic acid;1-Adamantyl(amino)acetic acid; |
| Density: | 1.245 g/cm3 |
| Boiling Point: | 355.646 °C at 760 mmHg |
| Flash Point: | 168.889 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 63.32000 |
| LogP: | 2.31500 |
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Specification
The 2-(1-Adamantyl)glycine, with the CAS registry number 60256-21-5, is also known as alpha-Aminotricyclo[3.3.1.13,7]decane-1-acetic acid. This chemical's molecular formula is C12H19NO2 and molecular weight is 209.28. What's more, its systematic name is Adamantan-1-yl(amino)acetic acid.
Physical properties of 2-(1-Adamantyl)glycine are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.41; (8)ACD/KOC (pH 7.4): 1.41; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 56.455 cm3; (15)Molar Volume: 168.112 cm3; (16)Polarizability: 22.38×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 168.889 °C; (20)Enthalpy of Vaporization: 66.005 kJ/mol; (21)Boiling Point: 355.646 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C13CC2CC(CC(C1)C2)C3
(2)Std. InChI: InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)
(3)Std. InChIKey: NJRFVURYVWPLKB-UHFFFAOYSA-N